2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine

C63H41N3O — CID 118371912

IUPAC2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-3)c3ccccc3N3c4ccccc4Oc4cccc2c43)c2cccc3ccccc23)cc1
InChIInChI=1S/C63H41N3O/c1-3-22-44(23-4-1)64(56-32-15-20-42-18-7-9-26-48(42)56)46-36-38-50-51-39-37-47(65(45-24-5-2-6-25-45)57-33-16-21-43-19-8-10-27-49(43)57)41-55(51)63(54(50)40-46)52-28-11-12-30-58(52)66-59-31-13-14-34-60(59)67-61-35-17-29-53(63)62(61)66/h1-41H
InChIKeyQJGURNRPULTLJO-UHFFFAOYSA-N
MW856.04 g/mol
LogP17.18
Rot. Bonds6

About 2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine

2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine (PubChem CID 118371912) has the molecular formula C63H41N3O and a molecular weight of 856.04 g/mol. Its IUPAC name is 2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine
PubChem CID118371912
Molecular FormulaC63H41N3O
Molecular Weight856.04 g/mol
Exact Mass855.32
IUPAC Name2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-3)c3ccccc3N3c4ccccc4Oc4cccc2c43)c2cccc3ccccc23)cc1
InChIInChI=1S/C63H41N3O/c1-3-22-44(23-4-1)64(56-32-15-20-42-18-7-9-26-48(42)56)46-36-38-50-51-39-37-47(65(45-24-5-2-6-25-45)57-33-16-21-43-19-8-10-27-49(43)57)41-55(51)63(54(50)40-46)52-28-11-12-30-58(52)66-59-31-13-14-34-60(59)67-61-35-17-29-53(63)62(61)66/h1-41H
InChIKeyQJGURNRPULTLJO-UHFFFAOYSA-N
XLogP17.18
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.04
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine with MolForge

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Related Compounds

14,14-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-amine
CID 170656255
10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine
CID 59513181
N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-1-yl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656649
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-[3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 170657017
14,14-dimethyl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656265
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166724
7'-chloro-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 165158317
5-N',9-N'-bis(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)-12',12'-dimethyl-5-N',9-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine
CID 146209825
N-phenyl-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 129309024

Frequently Asked Questions

What is the IUPAC name of 2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine?
The IUPAC name of 2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine (CID 118371912) is 2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine?
The canonical SMILES for 2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine is c1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-3)c3ccccc3N3c4ccccc4Oc4cccc2c43)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine?
The InChIKey is QJGURNRPULTLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N3O/c1-3-22-44(23-4-1)64(56-32-15-20-42-18-7-9-26-48(42)56)46-36-38-50-51-39-37-47(65(45-24-5-2-6-25-45)57-33-16-21-43-19-8-10-27-49(43)57)41-55(51)63(54(50)40-46)52-28-11-12-30-58(52)66-59-31-13-14-34-60(59)67-61-35-17-29-53(63)62(61)66/h1-41H.
What are the key properties of 2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine?
2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine has a molecular weight of 856.04 g/mol, XLogP of 17.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine is sourced from PubChem (CID 118371912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).